Geometry & MOs

Info

ID:

116389

PubChem CID:

50558889

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-189.91

Dipole, Da:

2.65

IP(EA), eV:

 -8.57(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[3-methyl-4-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NCC(C)C)C

DOS

IR

Vibrations